N-(2-ethylphenyl)-2-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(2-keto-1,3-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H26N4O4/c1-2-17-7-3-4-8-18(17)24-21(28)15-25-11-13-26(14-12-25)22(29)16-27-19-9-5-6-10-20(19)31-23(27)30/h3-10H,2,11-16H2,1H3,(H,24,28)/p+1